3-(cyclohexyl-methyl-phenylsilyl)-N,N-diethylpropan-1-amine

C20H35NSi — CID 3049051

IUPAC3-(cyclohexyl-methyl-phenylsilyl)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCC[Si](C)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H35NSi/c1-4-21(5-2)17-12-18-22(3,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h6,8-9,13-14,20H,4-5,7,10-12,15-18H2,1-3H3
InChIKeyOGIFLTKYIJWYMA-UHFFFAOYSA-N
MW317.59 g/mol
LogP5.04
Rot. Bonds8

About 3-(cyclohexyl-methyl-phenylsilyl)-N,N-diethylpropan-1-amine

3-(cyclohexyl-methyl-phenylsilyl)-N,N-diethylpropan-1-amine (PubChem CID 3049051) has the molecular formula C20H35NSi and a molecular weight of 317.59 g/mol. Its IUPAC name is 3-(cyclohexyl-methyl-phenylsilyl)-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-(cyclohexyl-methyl-phenylsilyl)-N,N-diethylpropan-1-amine
PubChem CID3049051
Molecular FormulaC20H35NSi
Molecular Weight317.59 g/mol
Exact Mass317.25
IUPAC Name3-(cyclohexyl-methyl-phenylsilyl)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCC[Si](C)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H35NSi/c1-4-21(5-2)17-12-18-22(3,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h6,8-9,13-14,20H,4-5,7,10-12,15-18H2,1-3H3
InChIKeyOGIFLTKYIJWYMA-UHFFFAOYSA-N
XLogP5.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.59
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexyl-methyl-phenylsilyl)-N,N-diethylpropan-1-amine?
The IUPAC name of 3-(cyclohexyl-methyl-phenylsilyl)-N,N-diethylpropan-1-amine (CID 3049051) is 3-(cyclohexyl-methyl-phenylsilyl)-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-(cyclohexyl-methyl-phenylsilyl)-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-(cyclohexyl-methyl-phenylsilyl)-N,N-diethylpropan-1-amine is CCN(CC)CCC[Si](C)(c1ccccc1)C1CCCCC1.
What is the InChIKey of 3-(cyclohexyl-methyl-phenylsilyl)-N,N-diethylpropan-1-amine?
The InChIKey is OGIFLTKYIJWYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NSi/c1-4-21(5-2)17-12-18-22(3,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h6,8-9,13-14,20H,4-5,7,10-12,15-18H2,1-3H3.
What are the key properties of 3-(cyclohexyl-methyl-phenylsilyl)-N,N-diethylpropan-1-amine?
3-(cyclohexyl-methyl-phenylsilyl)-N,N-diethylpropan-1-amine has a molecular weight of 317.59 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexyl-methyl-phenylsilyl)-N,N-diethylpropan-1-amine is sourced from PubChem (CID 3049051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).